4-oxidanylidene-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 3-(4-isopropylphenyl)-4-oxo-2-thioxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-oxo-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-oxo-3-(4-propan-2-ylphenyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-keto-3-p-cumenyl-2-thioxo-1H-pyrimidine-5-carboxylic acid Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=O)C(=CNC2=S)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=O)C(=CNC2=S)C(=O)O

InChI

InChI=1S/C14H14N2O3S/c1-8(2)9-3-5-10(6-4-9)16-12(17)11(13(18)19)7-15-14(16)20/h3-8H,1-2H3,(H,15,20)(H,18,19)